Acetic Acid → N2-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-7-(2,4-difluorophenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

HRID 144170Notes

Reaction equation

HRID 144170 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:41][C:42](=[O:43])[OH:44].[Cl:1][c:2]1[n:3][c:4]([NH:19][CH3:20])[c:5]2[c:6]([n:7]1)[CH:8]([c:11]1[c:12]([F:18])[cH:13][c:14]([F:17])[cH:15][cH:16]1)[CH2:9][CH2:10]2.[Cl:21][c:22]1[n:23][cH:24][n:25](-[c:27]2[c:28]([O:34][CH3:35])[cH:29][c:30]([NH2:31])[cH:32][cH:33]2)[cH:26]1>>[c:2]1([NH:31][c:30]2[cH:29][c:28]([O:34][CH3:35])[c:27](-[n:25]3[cH:24][n:23][c:22]([Cl:21])[cH:26]3)[cH:33][cH:32]2)[n:3][c:4]([NH:19][CH3:20])[c:5]2[c:6]([n:7]1)[CH:8]([c:11]1[c:12]([F:18])[cH:13][c:14]([F:17])[cH:15][cH:16]1)[CH2:9][CH2:10]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 580757472-chloro-7-(2,4-difluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amineHCID 580757574-(4-chloro-1H-imidazol-1-yl)-3-methoxyaniline

Product 1

HCID 58075702N2-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-7-(2,4-difluorophenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-63f9c75cf753499fa6cae62fa296b7ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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